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Isobutyl 8-methylnon-6-enoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Isobutyl 8-methylnon-6-enoate
SpectraBase Compound ID yaLIdm2FT4
InChI InChI=1S/C14H26O2/c1-12(2)9-7-5-6-8-10-14(15)16-11-13(3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKey QRIKILMASWEEMP-VQHVLOKHSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Il1sbTumnNg
Name Isobutyl 8-methylnon-6-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-12(2)9-7-5-6-8-10-14(15)16-11-13(3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKey QRIKILMASWEEMP-VQHVLOKHSA-N
Molecular Weight 226.360 g/mol
SMILES C(CCCC\C=C\C(C)C)(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986227